N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0948 |
| Compound Name: | N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C28 H26 N2 O4 S |
| Smiles: | CC(C)CN1C(C(C(Nc2ccc3C(C)=CC(=O)Oc3c2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.781 |
| logD: | 4.7725 |
| logSw: | -4.544 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.44 |
| InChI Key: | MBMAIHRPLSKLDK-UHFFFAOYSA-N |